N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide

C27H26N8O2 — CID 146661140

About N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide

N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide (PubChem CID 146661140) has the molecular formula C27H26N8O2 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide.

Molecular Properties

• Compound Name: N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide
• PubChem CID: 146661140
• Molecular Formula: C27H26N8O2
• Molecular Weight: 494.56 g/mol
• Exact Mass: 494.22
• IUPAC Name: N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide
• SMILES: C#CC(=O)NC1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1OCC
• InChI: InChI=1S/C27H26N8O2/c1-4-26(36)32-23-8-9-34(17-24(23)37-5-2)25-7-6-18(12-29-25)22-10-19(21-14-30-33(3)15-21)16-35-27(22)20(11-28)13-31-35/h1,6-7,10,12-16,23-24H,5,8-9,17H2,2-3H3,(H,32,36)
• InChIKey: JGDZYBHBNKURSH-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 113.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.56
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide?

The IUPAC name of N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide (CID 146661140) is N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide.

What is the SMILES notation for N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide?

The canonical SMILES for N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide is C#CC(=O)NC1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1OCC.

What is the InChIKey of N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide?

The InChIKey is JGDZYBHBNKURSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O2/c1-4-26(36)32-23-8-9-34(17-24(23)37-5-2)25-7-6-18(12-29-25)22-10-19(21-14-30-33(3)15-21)16-35-27(22)20(11-28)13-31-35/h1,6-7,10,12-16,23-24H,5,8-9,17H2,2-3H3,(H,32,36).

What are the key properties of N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide?

N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide has a molecular weight of 494.56 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-ethoxypiperidin-4-yl]prop-2-ynamide is sourced from PubChem (CID 146661140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).